1-Butanol → HCID 64554, compound

HRID 680182Notes

Reaction equation

HRID 680182 reaction equation
[C:17]12([C:27](=[O:28])[N:29]3[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[CH2:18][CH:19]3[CH2:20][CH:21]([CH2:22][CH:23]([CH2:24]1)[CH2:25]3)[CH2:26]2.[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:15][CH3:16])[c:7]([O:13][CH3:14])[cH:8][c:9]2[c:10]([NH2:12])[n:11]1>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([C:27]([C:17]34[CH2:18][CH:19]5[CH2:20][CH:21]([CH2:22][CH:23]([CH2:24]3)[CH2:25]5)[CH2:26]4)=[O:28])[CH2:34][CH2:33]2)[n:3][c:4]2[cH:5][c:6]([O:15][CH3:16])[c:7]([O:13][CH3:14])[cH:8][c:9]2[c:10]([NH2:12])[n:11]1

Participants

4

Reactant 3

HCID 2631-ButanolHCID 902352-Chloro-6,7-dimethoxy-4-quinazolinamineHCID 17233943(Piperazin-1-yl)(tricyclo[3.3.1.1~3,7~]decan-1-yl)methanone

Product 1

HCID 64554HCID 64554, compound

Sources & evidence

ORD record
ord-49693c7e2f1245ce9839753a5c925d6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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